1-chloro-2-[(E)-2-fluoro-2-(3-nitrophenyl)ethenyl]benzene

C14H9ClFNO2 — CID 11529210

IUPAC1-chloro-2-[(E)-2-fluoro-2-(3-nitrophenyl)ethenyl]benzene
SMILESO=[N+]([O-])c1cccc(/C(F)=C\c2ccccc2Cl)c1
InChIInChI=1S/C14H9ClFNO2/c15-13-7-2-1-4-10(13)9-14(16)11-5-3-6-12(8-11)17(18)19/h1-9H/b14-9+
InChIKeyQBOFUYSPBDOYKW-NTEUORMPSA-N
MW277.68 g/mol
LogP4.72
Rot. Bonds3

About 1-chloro-2-[(E)-2-fluoro-2-(3-nitrophenyl)ethenyl]benzene

1-chloro-2-[(E)-2-fluoro-2-(3-nitrophenyl)ethenyl]benzene (PubChem CID 11529210) has the molecular formula C14H9ClFNO2 and a molecular weight of 277.68 g/mol. Its IUPAC name is 1-chloro-2-[(E)-2-fluoro-2-(3-nitrophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(E)-2-fluoro-2-(3-nitrophenyl)ethenyl]benzene
PubChem CID11529210
Molecular FormulaC14H9ClFNO2
Molecular Weight277.68 g/mol
Exact Mass277.03
IUPAC Name1-chloro-2-[(E)-2-fluoro-2-(3-nitrophenyl)ethenyl]benzene
SMILESO=[N+]([O-])c1cccc(/C(F)=C\c2ccccc2Cl)c1
InChIInChI=1S/C14H9ClFNO2/c15-13-7-2-1-4-10(13)9-14(16)11-5-3-6-12(8-11)17(18)19/h1-9H/b14-9+
InChIKeyQBOFUYSPBDOYKW-NTEUORMPSA-N
XLogP4.72
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.68
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-1,2-difluoroethenyl]-3-nitrobenzene
CID 11788684
3-(2-chlorophenyl)-N-(3-nitrophenyl)-2-phenylprop-2-enamide
CID 1322752
N'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 6133004
3-nitrobenzoyl iodide
CID 87511250
N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 784701
1-nitro-3-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]benzene
CID 14067321
1-(3-nitrophenyl)ethenol
CID 12600881
[(Z)-[amino-(3-nitrophenyl)methylidene]amino] 2-chlorobenzoate
CID 5332695
2-chloro-1-(3-nitrophenyl)ethanone
CID 7437
(Z)-1,1,1-trifluoro-4-hydroxy-4-(3-nitrophenyl)but-3-en-2-one
CID 5347929
(3-nitrobenzoyl) 3-nitrobenzoate
CID 11001597
benzoyl bromide;1,3-dinitrobenzene
CID 174634067

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(E)-2-fluoro-2-(3-nitrophenyl)ethenyl]benzene?
The IUPAC name of 1-chloro-2-[(E)-2-fluoro-2-(3-nitrophenyl)ethenyl]benzene (CID 11529210) is 1-chloro-2-[(E)-2-fluoro-2-(3-nitrophenyl)ethenyl]benzene.
What is the SMILES notation for 1-chloro-2-[(E)-2-fluoro-2-(3-nitrophenyl)ethenyl]benzene?
The canonical SMILES for 1-chloro-2-[(E)-2-fluoro-2-(3-nitrophenyl)ethenyl]benzene is O=[N+]([O-])c1cccc(/C(F)=C\c2ccccc2Cl)c1.
What is the InChIKey of 1-chloro-2-[(E)-2-fluoro-2-(3-nitrophenyl)ethenyl]benzene?
The InChIKey is QBOFUYSPBDOYKW-NTEUORMPSA-N. The full InChI is InChI=1S/C14H9ClFNO2/c15-13-7-2-1-4-10(13)9-14(16)11-5-3-6-12(8-11)17(18)19/h1-9H/b14-9+.
What are the key properties of 1-chloro-2-[(E)-2-fluoro-2-(3-nitrophenyl)ethenyl]benzene?
1-chloro-2-[(E)-2-fluoro-2-(3-nitrophenyl)ethenyl]benzene has a molecular weight of 277.68 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(E)-2-fluoro-2-(3-nitrophenyl)ethenyl]benzene is sourced from PubChem (CID 11529210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).